General Information of the Compound
| Compound ID |
CP0012490
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| Compound Name |
3-[1-(4-tert-butylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-hydroxypropanamide
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| Structure |
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| Formula |
C22H28N2O2
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| Molecular Weight |
352.478
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C1N(CCC(=O)NO)CCc2ccccc12
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| InChI |
InChI=1S/C22H28N2O2/c1-22(2,3)18-10-8-17(9-11-18)21-19-7-5-4-6-16(19)12-14-24(21)15-13-20(25)23-26/h4-11,21,26H,12-15H2,1-3H3,(H,23,25)
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| InChIKey |
VKWCRUROUCJUAM-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT00835, Histone deacetylase 2